Re: [AMBER] rfree: Error decoding variable 1 3 from:

From: Elisa Frezza <elisa.frezza.gmail.com>
Date: Thu, 12 Apr 2012 17:38:29 +0200

Dear Professor Case

Thank you for the answer.
I have tried this test, but it does not work and there is still the error:
    ----- READING GROUP 1; TITLE:
  DISANG=dist_chi.RST


     rfree: Error decoding variable 1 3 from:
 DUMPAVE=restraint.log

If I use sander9 (in the cluster I am not able to find serial version of
sander10), the error will be:

  5. REFERENCE ATOM COORDINATES


    ----- READING GROUP 1; TITLE:
  &end


     rfree: Error decoding variable 1 3 from:
 Keep

     this indicates that your input contains

      incorrect information

     field 1 was supposed to

      have a (1=character, 2=integer, 3=decimal) value


2012/4/12 David A Case <case.biomaps.rutgers.edu>

> On Thu, Apr 12, 2012, Elisa Frezza wrote:
> >
> > Thank you very much. I try to run my input with sander9, but I have still
> > problems.
>
> Can you say what problems? Do you somehow not have access to sander10?
> (Your previous output was from pmemd 10). It seems likely that you have
> found
> a bug in earlier versions of pmemd. Another good test would be to put the
> group cards before the redirection cards (instead of after) and see if that
> helps.
>
> > In Amber12, is this input correct?
> >
> > restraintmask=1-48
>
> This would be something like restraintmask=':1-48',
>
> > /
> > &ewald
> > nfft1 = 90,
> > nfft2 = 90,
> > nfft3 = 90,
>
> Note that we generally don't recommend that users set these values; unless
> you
> really know what you are doing, you should allow the program to set them
> for
> you.
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
UniversitÓ di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza.gmail.com
         elisa.frezza.studenti.unipd.it
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 12 2012 - 09:00:04 PDT
Custom Search